2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid

C9H8BrNO4 — CID 91896517

IUPAC2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid
SMILESO=NCc1cc(Br)ccc1OCC(=O)O
InChIInChI=1S/C9H8BrNO4/c10-7-1-2-8(15-5-9(12)13)6(3-7)4-11-14/h1-3H,4-5H2,(H,12,13)
InChIKeyKWXZZLFHSHNEHC-UHFFFAOYSA-N
MW274.07 g/mol
LogP2.18
Rot. Bonds5

About 2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid

2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid (PubChem CID 91896517) has the molecular formula C9H8BrNO4 and a molecular weight of 274.07 g/mol. Its IUPAC name is 2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid
PubChem CID91896517
Molecular FormulaC9H8BrNO4
Molecular Weight274.07 g/mol
Exact Mass272.96
IUPAC Name2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid
SMILESO=NCc1cc(Br)ccc1OCC(=O)O
InChIInChI=1S/C9H8BrNO4/c10-7-1-2-8(15-5-9(12)13)6(3-7)4-11-14/h1-3H,4-5H2,(H,12,13)
InChIKeyKWXZZLFHSHNEHC-UHFFFAOYSA-N
XLogP2.18
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-2-(hydroxymethyl)phenoxy]acetic acid
CID 894151
2-(5-bromo-2-ethylphenoxy)acetic acid
CID 151411352
2-(4-bromo-2-ethynylphenoxy)acetic acid
CID 138686811
1-(4-bromo-2-ethylphenoxy)propan-2-one
CID 58963157
2-(4-bromo-2-cyclohexylphenoxy)acetic acid
CID 160908207
2-[4-bromo-2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetic acid
CID 19617744
2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid
CID 138684021
2-[[2-(2,4-dibromophenoxy)acetyl]amino]oxyacetic acid
CID 60668042
2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid
CID 54487376
2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid
CID 90901057
2-[4-bromo-2-[(carbamothioylhydrazinylidene)methyl]phenoxy]acetic acid
CID 57368044
2-(4-bromo-2-methylphenoxy)acetamide
CID 803456

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid (CID 91896517) is 2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid is O=NCc1cc(Br)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid?
The InChIKey is KWXZZLFHSHNEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO4/c10-7-1-2-8(15-5-9(12)13)6(3-7)4-11-14/h1-3H,4-5H2,(H,12,13).
What are the key properties of 2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid?
2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid has a molecular weight of 274.07 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid is sourced from PubChem (CID 91896517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).